data_1t9q_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1t9q _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.0 mtm . . . . . 0 N--CA 1.449 -0.478 0 CA-C-O 121.81 0.814 . . . . 30.43 112.826 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LYS . . . . . 0.772 ' CD ' ' N ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -109.68 142.28 41.06 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 120.904 -1.123 . . . . 28.850000000000001 109.845 -173.569 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -55.32 152.08 8.95 Favored 'General case' 0 N--CA 1.447 -0.616 0 O-C-N 120.81 -1.181 . . . . 19.550000000000001 110.882 158.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -123.67 148.95 46.04 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 106.432 -1.692 . . . . 16.5 106.432 169.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.8 m -126.61 147.58 49.88 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 117.05 -1.86 . . . . 20.059999999999999 112.987 168.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.0 t -69.15 118.76 12.45 Favored 'General case' 0 N--CA 1.427 -1.592 0 CA-C-N 112.253 -2.248 . . . . 17.030000000000001 113.765 170.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 61.8 p -85.23 -6.14 59.28 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 124.398 2.047 . . . . 15.77 107.106 -169.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . 0.508 ' O ' ' CG1' ' A' ' 8' ' ' VAL . 17.2 t -92.15 -20.1 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 O-C-N 118.113 -2.867 . . . . 15.859999999999999 113.441 172.351 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.5 p -142.11 -9.93 0.88 Allowed 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 117.541 2.423 . . . . 17.079999999999998 117.541 -177.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.46 -24.45 32.01 Favored Glycine 0 N--CA 1.444 -0.808 0 O-C-N 116.765 -3.709 . . . . 13.84 114.998 -178.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 94.1 t80 -43.49 119.79 1.74 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 122.448 1.118 . . . . 19.359999999999999 111.601 174.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 mp -99.53 114.86 38.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 120.004 -1.685 . . . . 19.920000000000002 110.908 173.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -71.56 120.37 17.05 Favored 'General case' 0 N--CA 1.433 -1.281 0 O-C-N 120.501 -1.374 . . . . 15.07 111.731 165.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -112.9 118.08 45.21 Favored Pre-proline 0 C--O 1.235 0.292 0 O-C-N 119.803 -1.811 . . . . 19.93 111.915 174.681 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -66.31 -23.11 52.09 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 123.675 2.917 . . . . 18.219999999999999 111.59 -168.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -65.69 -36.1 82.67 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 113.151 -1.84 . . . . 28.079999999999998 111.103 179.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -100.2 -8.15 23.9 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 113.296 -1.774 . . . . 20.260000000000002 112.966 -172.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 35.77 -156.13 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 118.202 2.041 . . . . 13.1 118.202 -157.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -131.91 78.99 68.67 Favored Pre-proline 0 C--N 1.318 -0.785 0 O-C-N 119.937 -1.919 . . . . 17.210000000000001 108.319 164.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -64.24 -27.02 64.17 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 123.276 2.651 . . . . 14.16 116.362 -172.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -69.16 -15.26 63.37 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 121.021 1.737 . . . . 23.859999999999999 111.904 179.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -120.38 15.56 12.15 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 120.507 -1.371 . . . . 23.550000000000001 111.842 -178.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.91 0.55 56.24 Favored Glycine 0 N--CA 1.437 -1.243 0 C-N-CA 119.593 -1.289 . . . . 13.98 114.612 168.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 203' ' ' HOH . 75.7 t -103.9 107.81 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 CA-C-O 121.98 0.895 . . . . 11.02 109.119 -175.666 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -76.56 166.04 48.01 Favored Pre-proline 0 C--O 1.235 0.324 0 O-C-N 119.822 -1.799 . . . . 14.960000000000001 111.163 -166.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -53.23 135.05 58.97 Favored 'Trans proline' 0 C--N 1.328 -0.528 0 O-C-N 116.816 -2.254 . . . . 15.960000000000001 116.457 167.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.0 -6.8 58.54 Favored Glycine 0 CA--C 1.535 1.305 0 O-C-N 119.315 -2.116 . . . . 14.58 113.796 178.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.2 m -77.58 102.4 6.97 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.09 0.945 . . . . 14.1 111.88 -179.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -37.05 133.78 0.6 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.745 -0.661 . . . . 15.039999999999999 111.718 159.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -52.86 -32.96 47.55 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 120.956 -1.09 . . . . 10.17 109.873 -178.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 214' ' ' HOH . 0.5 OUTLIER -77.84 -10.45 59.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 122.087 0.946 . . . . 18.399999999999999 108.623 -169.27 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASP . . . . . 0.736 ' OD1' ' O ' ' A' ' 213' ' ' HOH . 95.8 m-20 -97.4 -15.79 20.51 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 114.426 -1.261 . . . . 18.800000000000001 111.127 -177.988 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 57.7 mt -62.09 133.72 94.2 Favored Pre-proline 0 N--CA 1.445 -0.688 0 CA-C-N 115.771 -0.65 . . . . 12.26 112.227 174.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -49.83 130.05 25.9 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 124.603 3.535 . . . . 16.199999999999999 116.493 169.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -73.48 0.72 11.6 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-N 113.695 -1.593 . . . . 13.6 109.45 -162.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -104.2 -2.14 26.16 Favored 'General case' 0 C--N 1.342 0.276 0 N-CA-C 113.035 0.754 . . . . 15.67 113.035 175.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 24.5 t90 -62.51 139.3 58.59 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 112.353 0.501 . . . . 11.99 112.353 166.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.6 m -114.3 153.64 15.79 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 CA-C-O 122.172 0.987 . . . . 13.24 109.723 -176.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.8 t -52.44 123.47 29.33 Favored Pre-proline 0 N--CA 1.437 -1.078 0 CA-C-O 122.595 1.188 . . . . 12.9 109.749 167.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -64.37 -25.28 63.91 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 122.704 2.269 . . . . 18.109999999999999 111.31 -178.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.2 tp -87.83 -52.29 5.38 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 113.708 1.003 . . . . 18.280000000000001 113.708 174.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.5 p -101.48 -10.27 20.31 Favored 'General case' 0 N--CA 1.44 -0.963 1 O-C-N 116.22 -4.05 . . . . 21.100000000000001 116.185 -178.727 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.14 9.48 82.15 Favored Glycine 0 CA--C 1.529 0.961 0 CA-C-N 120.415 1.461 . . . . 20.239999999999998 112.057 171.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 82.0 mt -88.26 165.49 14.99 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 115.867 1.803 . . . . 21.32 115.867 163.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.77 -173.79 32.02 Favored Glycine 0 C--O 1.227 -0.291 0 O-C-N 118.109 -2.869 . . . . 19.18 113.557 -166.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LYS . . . . . 0.935 ' NZ ' ' O ' ' A' ' 214' ' ' HOH . 44.2 mtpt -60.24 -18.7 50.59 Favored 'General case' 0 N--CA 1.442 -0.843 0 O-C-N 121.481 -1.011 . . . . 17.260000000000002 109.291 -164.898 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 209' ' ' HOH . 42.4 m-20 -84.11 -9.77 58.33 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 120.521 -1.362 . . . . 30.370000000000001 110.007 -163.485 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -88.76 4.57 47.0 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 123.103 1.43 . . . . 20.649999999999999 114.399 168.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -88.96 146.86 24.63 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 116.276 1.954 . . . . 18.699999999999999 116.276 173.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -131.12 146.59 52.41 Favored 'General case' 0 CA--C 1.517 -0.32 0 O-C-N 120.626 -1.296 . . . . 29.34 111.088 168.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -44.79 135.08 5.28 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 116.436 2.013 . . . . 29.699999999999999 116.436 164.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.2 t -96.1 141.67 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 O-C-N 120.465 -1.397 . . . . 39.259999999999998 112.396 170.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 . . . . . 0 N--CA 1.471 0.622 0 N-CA-C 114.147 1.165 . . . . 48.520000000000003 114.147 174.123 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ' FE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . 0.447 ' O ' ' CG2' ' A' ' 24' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . 0.465 ' O ' ' CB ' ' A' ' 47' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . 0.736 ' O ' ' OD1' ' A' ' 32' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . 0.935 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.0 mtm . . . . . 0 N--CA 1.449 -0.478 0 CA-C-O 121.81 0.814 . . . . 30.43 112.826 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LYS . . . . . 1.086 ' H ' ' HD2' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -109.68 142.28 41.06 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 120.904 -1.123 . . . . 28.850000000000001 109.845 -173.569 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -55.32 152.08 8.95 Favored 'General case' 0 N--CA 1.447 -0.616 0 O-C-N 120.81 -1.181 . . . . 19.550000000000001 110.882 158.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' TYR . . . . . 0.556 ' CZ ' ' HG3' ' A' ' 51' ' ' GLU . 16.7 m-85 -123.67 148.95 46.04 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 106.432 -1.692 . . . . 16.5 106.432 169.607 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . 0.665 HG21 ' O ' ' A' ' 224' ' ' HOH . 16.8 m -126.61 147.58 49.88 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 117.05 -1.86 . . . . 20.059999999999999 112.987 168.751 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.0 t -69.15 118.76 12.45 Favored 'General case' 0 N--CA 1.427 -1.592 0 CA-C-N 112.253 -2.248 . . . . 17.030000000000001 113.765 170.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 61.8 p -85.23 -6.14 59.28 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 124.398 2.047 . . . . 15.77 107.106 -169.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . 0.518 ' O ' HG12 ' A' ' 8' ' ' VAL . 17.2 t -92.15 -20.1 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 O-C-N 118.113 -2.867 . . . . 15.859999999999999 113.441 172.351 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' CYS . . . . . 0.512 ' SG ' HD23 ' A' ' 41' ' ' LEU . 4.5 p -142.11 -9.93 0.88 Allowed 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 117.541 2.423 . . . . 17.079999999999998 117.541 -177.05 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.46 -24.45 32.01 Favored Glycine 0 N--CA 1.444 -0.808 0 O-C-N 116.765 -3.709 . . . . 13.84 114.998 -178.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 94.1 t80 -43.49 119.79 1.74 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 122.448 1.118 . . . . 19.359999999999999 111.601 174.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 mp -99.53 114.86 38.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 120.004 -1.685 . . . . 19.920000000000002 110.908 173.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' TYR . . . . . 0.483 ' CZ ' HD11 ' A' ' 33' ' ' ILE . 92.6 t80 -71.56 120.37 17.05 Favored 'General case' 0 N--CA 1.433 -1.281 0 O-C-N 120.501 -1.374 . . . . 15.07 111.731 165.261 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -112.9 118.08 45.21 Favored Pre-proline 0 C--O 1.235 0.292 0 O-C-N 119.803 -1.811 . . . . 19.93 111.915 174.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -66.31 -23.11 52.09 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 123.675 2.917 . . . . 18.219999999999999 111.59 -168.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -65.69 -36.1 82.67 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 113.151 -1.84 . . . . 28.079999999999998 111.103 179.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -100.2 -8.15 23.9 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 113.296 -1.774 . . . . 20.260000000000002 112.966 -172.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 35.77 -156.13 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 118.202 2.041 . . . . 13.1 118.202 -157.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -131.91 78.99 68.67 Favored Pre-proline 0 C--N 1.318 -0.785 0 O-C-N 119.937 -1.919 . . . . 17.210000000000001 108.319 164.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -64.24 -27.02 64.17 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 123.276 2.651 . . . . 14.16 116.362 -172.689 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -69.16 -15.26 63.37 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 121.021 1.737 . . . . 23.859999999999999 111.904 179.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -120.38 15.56 12.15 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 120.507 -1.371 . . . . 23.550000000000001 111.842 -178.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.91 0.55 56.24 Favored Glycine 0 N--CA 1.437 -1.243 0 C-N-CA 119.593 -1.289 . . . . 13.98 114.612 168.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 203' ' ' HOH . 75.7 t -103.9 107.81 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 CA-C-O 121.98 0.895 . . . . 11.02 109.119 -175.666 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -76.56 166.04 48.01 Favored Pre-proline 0 C--O 1.235 0.324 0 O-C-N 119.822 -1.799 . . . . 14.960000000000001 111.163 -166.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -53.23 135.05 58.97 Favored 'Trans proline' 0 C--N 1.328 -0.528 0 O-C-N 116.816 -2.254 . . . . 15.960000000000001 116.457 167.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.0 -6.8 58.54 Favored Glycine 0 CA--C 1.535 1.305 0 O-C-N 119.315 -2.116 . . . . 14.58 113.796 178.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.2 m -77.58 102.4 6.97 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.09 0.945 . . . . 14.1 111.88 -179.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -37.05 133.78 0.6 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.745 -0.661 . . . . 15.039999999999999 111.718 159.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -52.86 -32.96 47.55 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 120.956 -1.09 . . . . 10.17 109.873 -178.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 214' ' ' HOH . 0.5 OUTLIER -77.84 -10.45 59.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 122.087 0.946 . . . . 18.399999999999999 108.623 -169.27 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASP . . . . . 0.736 ' OD1' ' O ' ' A' ' 213' ' ' HOH . 95.8 m-20 -97.4 -15.79 20.51 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 114.426 -1.261 . . . . 18.800000000000001 111.127 -177.988 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . 0.483 HD11 ' CZ ' ' A' ' 13' ' ' TYR . 57.7 mt -62.09 133.72 94.2 Favored Pre-proline 0 N--CA 1.445 -0.688 0 CA-C-N 115.771 -0.65 . . . . 12.26 112.227 174.526 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -49.83 130.05 25.9 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 124.603 3.535 . . . . 16.199999999999999 116.493 169.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASP . . . . . 0.43 ' HA ' ' HD3' ' A' ' 46' ' ' LYS . 55.7 m-20 -73.48 0.72 11.6 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-N 113.695 -1.593 . . . . 13.6 109.45 -162.776 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -104.2 -2.14 26.16 Favored 'General case' 0 C--N 1.342 0.276 0 N-CA-C 113.035 0.754 . . . . 15.67 113.035 175.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' TRP . . . . . 0.427 ' HB2' ' O ' ' A' ' 203' ' ' HOH . 24.5 t90 -62.51 139.3 58.59 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 112.353 0.501 . . . . 11.99 112.353 166.86 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.6 m -114.3 153.64 15.79 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 CA-C-O 122.172 0.987 . . . . 13.24 109.723 -176.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.8 t -52.44 123.47 29.33 Favored Pre-proline 0 N--CA 1.437 -1.078 0 CA-C-O 122.595 1.188 . . . . 12.9 109.749 167.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -64.37 -25.28 63.91 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 122.704 2.269 . . . . 18.109999999999999 111.31 -178.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . 0.512 HD23 ' SG ' ' A' ' 9' ' ' CYS . 62.2 tp -87.83 -52.29 5.38 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 113.708 1.003 . . . . 18.280000000000001 113.708 174.194 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.5 p -101.48 -10.27 20.31 Favored 'General case' 0 N--CA 1.44 -0.963 1 O-C-N 116.22 -4.05 . . . . 21.100000000000001 116.185 -178.727 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.14 9.48 82.15 Favored Glycine 0 CA--C 1.529 0.961 0 CA-C-N 120.415 1.461 . . . . 20.239999999999998 112.057 171.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 82.0 mt -88.26 165.49 14.99 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 115.867 1.803 . . . . 21.32 115.867 163.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.77 -173.79 32.02 Favored Glycine 0 C--O 1.227 -0.291 0 O-C-N 118.109 -2.869 . . . . 19.18 113.557 -166.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LYS . . . . . 0.935 ' NZ ' ' O ' ' A' ' 214' ' ' HOH . 44.2 mtpt -60.24 -18.7 50.59 Favored 'General case' 0 N--CA 1.442 -0.843 0 O-C-N 121.481 -1.011 . . . . 17.260000000000002 109.291 -164.898 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . 0.935 ' HB2' ' O ' ' A' ' 209' ' ' HOH . 42.4 m-20 -84.11 -9.77 58.33 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 120.521 -1.362 . . . . 30.370000000000001 110.007 -163.485 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -88.76 4.57 47.0 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 123.103 1.43 . . . . 20.649999999999999 114.399 168.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 46' ' ' LYS . 37.2 m-85 -88.96 146.86 24.63 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 116.276 1.954 . . . . 18.699999999999999 116.276 173.94 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -131.12 146.59 52.41 Favored 'General case' 0 CA--C 1.517 -0.32 0 O-C-N 120.626 -1.296 . . . . 29.34 111.088 168.361 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . 0.556 ' HG3' ' CZ ' ' A' ' 4' ' ' TYR . 4.4 tt0 -44.79 135.08 5.28 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 116.436 2.013 . . . . 29.699999999999999 116.436 164.915 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.2 t -96.1 141.67 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 O-C-N 120.465 -1.397 . . . . 39.259999999999998 112.396 170.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 . . . . . 0 N--CA 1.471 0.622 0 N-CA-C 114.147 1.165 . . . . 48.520000000000003 114.147 174.123 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ' FE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . 0.447 ' O ' ' CG2' ' A' ' 24' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . 0.935 ' O ' ' HB2' ' A' ' 47' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . 0.736 ' O ' ' OD1' ' A' ' 32' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . 0.935 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . 0.665 ' O ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.0 mtm . . . . . 0 N--CA 1.449 -0.478 0 CA-C-O 121.81 0.814 . . . . 30.43 112.826 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LYS . . . . . 1.086 ' H ' ' HD2' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -109.68 142.28 41.06 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 120.904 -1.123 . . . . 28.850000000000001 109.845 -173.569 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -55.32 152.08 8.95 Favored 'General case' 0 N--CA 1.447 -0.616 0 O-C-N 120.81 -1.181 . . . . 19.550000000000001 110.882 158.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.556 ' CZ ' ' HG3' ' A' ' 51' ' ' GLU . 16.7 m-85 -123.67 148.95 46.04 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 106.432 -1.692 . . . . 16.5 106.432 169.607 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . 0.665 HG21 ' O ' ' A' ' 224' ' ' HOH . 16.8 m -126.61 147.58 49.88 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 117.05 -1.86 . . . . 20.059999999999999 112.987 168.751 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.0 t -69.15 118.76 12.45 Favored 'General case' 0 N--CA 1.427 -1.592 0 CA-C-N 112.253 -2.248 . . . . 17.030000000000001 113.765 170.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 61.8 p -85.23 -6.14 59.28 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 124.398 2.047 . . . . 15.77 107.106 -169.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.518 ' O ' HG12 ' A' ' 8' ' ' VAL . 17.2 t -92.15 -20.1 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 O-C-N 118.113 -2.867 . . . . 15.859999999999999 113.441 172.351 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.512 ' SG ' HD23 ' A' ' 41' ' ' LEU . 4.5 p -142.11 -9.93 0.88 Allowed 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 117.541 2.423 . . . . 17.079999999999998 117.541 -177.05 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.46 -24.45 32.01 Favored Glycine 0 N--CA 1.444 -0.808 0 O-C-N 116.765 -3.709 . . . . 13.84 114.998 -178.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 94.1 t80 -43.49 119.79 1.74 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 122.448 1.118 . . . . 19.359999999999999 111.601 174.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 mp -99.53 114.86 38.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 120.004 -1.685 . . . . 19.920000000000002 110.908 173.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.483 ' CZ ' HD11 ' A' ' 33' ' ' ILE . 92.6 t80 -71.56 120.37 17.05 Favored 'General case' 0 N--CA 1.433 -1.281 0 O-C-N 120.501 -1.374 . . . . 15.07 111.731 165.261 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.532 HD22 ' HD2' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -112.9 118.08 45.21 Favored Pre-proline 0 C--O 1.235 0.292 0 O-C-N 119.803 -1.811 . . . . 19.93 111.915 174.681 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.532 ' HD2' HD22 ' A' ' 14' ' ' ASN . 8.4 Cg_endo -66.31 -23.11 52.09 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 123.675 2.917 . . . . 18.219999999999999 111.59 -168.812 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.437 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 4.6 tt0 -65.69 -36.1 82.67 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 113.151 -1.84 . . . . 28.079999999999998 111.103 179.298 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -100.2 -8.15 23.9 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 113.296 -1.774 . . . . 20.260000000000002 112.966 -172.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 35.77 -156.13 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 118.202 2.041 . . . . 13.1 118.202 -157.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -131.91 78.99 68.67 Favored Pre-proline 0 C--N 1.318 -0.785 0 O-C-N 119.937 -1.919 . . . . 17.210000000000001 108.319 164.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -64.24 -27.02 64.17 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 123.276 2.651 . . . . 14.16 116.362 -172.689 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -69.16 -15.26 63.37 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 121.021 1.737 . . . . 23.859999999999999 111.904 179.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -120.38 15.56 12.15 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 120.507 -1.371 . . . . 23.550000000000001 111.842 -178.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.91 0.55 56.24 Favored Glycine 0 N--CA 1.437 -1.243 0 C-N-CA 119.593 -1.289 . . . . 13.98 114.612 168.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 203' ' ' HOH . 75.7 t -103.9 107.81 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 CA-C-O 121.98 0.895 . . . . 11.02 109.119 -175.666 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -76.56 166.04 48.01 Favored Pre-proline 0 C--O 1.235 0.324 0 O-C-N 119.822 -1.799 . . . . 14.960000000000001 111.163 -166.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -53.23 135.05 58.97 Favored 'Trans proline' 0 C--N 1.328 -0.528 0 O-C-N 116.816 -2.254 . . . . 15.960000000000001 116.457 167.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.0 -6.8 58.54 Favored Glycine 0 CA--C 1.535 1.305 0 O-C-N 119.315 -2.116 . . . . 14.58 113.796 178.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.2 m -77.58 102.4 6.97 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.09 0.945 . . . . 14.1 111.88 -179.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -37.05 133.78 0.6 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.745 -0.661 . . . . 15.039999999999999 111.718 159.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -52.86 -32.96 47.55 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 120.956 -1.09 . . . . 10.17 109.873 -178.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 214' ' ' HOH . 0.5 OUTLIER -77.84 -10.45 59.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 122.087 0.946 . . . . 18.399999999999999 108.623 -169.27 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.736 ' OD1' ' O ' ' A' ' 213' ' ' HOH . 95.8 m-20 -97.4 -15.79 20.51 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 114.426 -1.261 . . . . 18.800000000000001 111.127 -177.988 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.483 HD11 ' CZ ' ' A' ' 13' ' ' TYR . 57.7 mt -62.09 133.72 94.2 Favored Pre-proline 0 N--CA 1.445 -0.688 0 CA-C-N 115.771 -0.65 . . . . 12.26 112.227 174.526 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -49.83 130.05 25.9 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 124.603 3.535 . . . . 16.199999999999999 116.493 169.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.43 ' HA ' ' HD3' ' A' ' 46' ' ' LYS . 55.7 m-20 -73.48 0.72 11.6 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-N 113.695 -1.593 . . . . 13.6 109.45 -162.776 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -104.2 -2.14 26.16 Favored 'General case' 0 C--N 1.342 0.276 0 N-CA-C 113.035 0.754 . . . . 15.67 113.035 175.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.427 ' HB2' ' O ' ' A' ' 203' ' ' HOH . 24.5 t90 -62.51 139.3 58.59 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 112.353 0.501 . . . . 11.99 112.353 166.86 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.6 m -114.3 153.64 15.79 Favored 'Isoleucine or valine' 0 C--N 1.352 0.677 0 CA-C-O 122.172 0.987 . . . . 13.24 109.723 -176.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.8 t -52.44 123.47 29.33 Favored Pre-proline 0 N--CA 1.437 -1.078 0 CA-C-O 122.595 1.188 . . . . 12.9 109.749 167.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -64.37 -25.28 63.91 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 122.704 2.269 . . . . 18.109999999999999 111.31 -178.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.512 HD23 ' SG ' ' A' ' 9' ' ' CYS . 62.2 tp -87.83 -52.29 5.38 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 113.708 1.003 . . . . 18.280000000000001 113.708 174.194 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.5 p -101.48 -10.27 20.31 Favored 'General case' 0 N--CA 1.44 -0.963 1 O-C-N 116.22 -4.05 . . . . 21.100000000000001 116.185 -178.727 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.14 9.48 82.15 Favored Glycine 0 CA--C 1.529 0.961 0 CA-C-N 120.415 1.461 . . . . 20.239999999999998 112.057 171.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 82.0 mt -88.26 165.49 14.99 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 115.867 1.803 . . . . 21.32 115.867 163.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.77 -173.79 32.02 Favored Glycine 0 C--O 1.227 -0.291 0 O-C-N 118.109 -2.869 . . . . 19.18 113.557 -166.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.935 ' NZ ' ' O ' ' A' ' 214' ' ' HOH . 44.2 mtpt -60.24 -18.7 50.59 Favored 'General case' 0 N--CA 1.442 -0.843 0 O-C-N 121.481 -1.011 . . . . 17.260000000000002 109.291 -164.898 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.935 ' HB2' ' O ' ' A' ' 209' ' ' HOH . 42.4 m-20 -84.11 -9.77 58.33 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 120.521 -1.362 . . . . 30.370000000000001 110.007 -163.485 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -88.76 4.57 47.0 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 123.103 1.43 . . . . 20.649999999999999 114.399 168.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 46' ' ' LYS . 37.2 m-85 -88.96 146.86 24.63 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 116.276 1.954 . . . . 18.699999999999999 116.276 173.94 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -131.12 146.59 52.41 Favored 'General case' 0 CA--C 1.517 -0.32 0 O-C-N 120.626 -1.296 . . . . 29.34 111.088 168.361 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.556 ' HG3' ' CZ ' ' A' ' 4' ' ' TYR . 4.4 tt0 -44.79 135.08 5.28 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 116.436 2.013 . . . . 29.699999999999999 116.436 164.915 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.2 t -96.1 141.67 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 O-C-N 120.465 -1.397 . . . . 39.259999999999998 112.396 170.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 . . . . . 0 N--CA 1.471 0.622 0 N-CA-C 114.147 1.165 . . . . 48.520000000000003 114.147 174.123 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ' FE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . 0.447 ' O ' ' CG2' ' A' ' 24' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . 0.935 ' O ' ' HB2' ' A' ' 47' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . 0.736 ' O ' ' OD1' ' A' ' 32' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . 0.935 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . 0.665 ' O ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_